Crystallography Open Database

Information card for entry 1505118

Preview

Coordinates	1505118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H55 Al N2 O2
Calculated formula	C36 H55 Al N2 O2
SMILES	[Al]123(CC)[N](=Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O2)CC(C)(C)[N]1=Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O3
Title of publication	Polymerization ofrac-Lactide Using Schiff Base Aluminum Catalysts: Structure, Activity, and Stereoselectivity
Authors of publication	Du, Hongzhi; Pang, Xuan; Yu, Haiyang; Zhuang, Xiuli; Chen, Xuesi; Cui, Dongmei; Wang, Xianhong; Jing, Xiabin
Journal of publication	Macromolecules
Year of publication	2007
Journal volume	40
Journal issue	6
Pages of publication	1904
a	11.4152 ± 0.0007 Å
b	26.7147 ± 0.0015 Å
c	11.664 ± 0.0007 Å
α	90°
β	104.492 ± 0.001°
γ	90°
Cell volume	3443.8 ± 0.4 Å³
Cell temperature	187 ± 2 K
Ambient diffraction temperature	187 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1021
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1505118.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1505118.cif
45358	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 1505118 via cif-deposit CGI script.	1505118.cif